1-(3-piperidin-1-ylpropyl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine

C17H27F3N4 — CID 86803437

IUPAC1-(3-piperidin-1-ylpropyl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
SMILESFC(F)(F)c1cnc(C2CCN(CCCN3CCCCC3)CC2)[nH]1
InChIInChI=1S/C17H27F3N4/c18-17(19,20)15-13-21-16(22-15)14-5-11-24(12-6-14)10-4-9-23-7-2-1-3-8-23/h13-14H,1-12H2,(H,21,22)
InChIKeyOYHKNDJBVPBNPW-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.48
Rot. Bonds5

About 1-(3-piperidin-1-ylpropyl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine

1-(3-piperidin-1-ylpropyl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine (PubChem CID 86803437) has the molecular formula C17H27F3N4 and a molecular weight of 344.43 g/mol. Its IUPAC name is 1-(3-piperidin-1-ylpropyl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine.

Molecular Properties

Compound Name1-(3-piperidin-1-ylpropyl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
PubChem CID86803437
Molecular FormulaC17H27F3N4
Molecular Weight344.43 g/mol
Exact Mass344.22
IUPAC Name1-(3-piperidin-1-ylpropyl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
SMILESFC(F)(F)c1cnc(C2CCN(CCCN3CCCCC3)CC2)[nH]1
InChIInChI=1S/C17H27F3N4/c18-17(19,20)15-13-21-16(22-15)14-5-11-24(12-6-14)10-4-9-23-7-2-1-3-8-23/h13-14H,1-12H2,(H,21,22)
InChIKeyOYHKNDJBVPBNPW-UHFFFAOYSA-N
XLogP3.48
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-piperidin-1-ylpropyl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-1-ylpropyl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
The IUPAC name of 1-(3-piperidin-1-ylpropyl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine (CID 86803437) is 1-(3-piperidin-1-ylpropyl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine.
What is the SMILES notation for 1-(3-piperidin-1-ylpropyl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
The canonical SMILES for 1-(3-piperidin-1-ylpropyl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine is FC(F)(F)c1cnc(C2CCN(CCCN3CCCCC3)CC2)[nH]1.
What is the InChIKey of 1-(3-piperidin-1-ylpropyl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
The InChIKey is OYHKNDJBVPBNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F3N4/c18-17(19,20)15-13-21-16(22-15)14-5-11-24(12-6-14)10-4-9-23-7-2-1-3-8-23/h13-14H,1-12H2,(H,21,22).
What are the key properties of 1-(3-piperidin-1-ylpropyl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
1-(3-piperidin-1-ylpropyl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine has a molecular weight of 344.43 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-1-ylpropyl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine is sourced from PubChem (CID 86803437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).